Basic information
- CAS
98317-61-4- Standard SMILES
Cc1ccc2c(C[NH3+])cc(=O)oc2c1.[Cl-]- InChIKey
OOWFJMWGRSOFHT-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0556563
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 4-(aminomethyl)-7-methyl-, hydrochloride
- IUPAC
- (7-methyl-2-oxochromen-4-yl)methylazanium chloride
Names & synonyms
98317-61-42H-1-BENZOPYRAN-2-ONE, 4-(AMINOMETHYL)-7-METHYL-, HYDROCHLORIDERefChem:10651694-(Aminomethyl)-7-methyl-2H-1-benzopyran-2-one hydrochloride(7-Methyl-2-oxo-2H-chromen-4-yl)methanaminium chloride
Database identifiers
- CAS
98317-61-4- PubChem CID
- 57360
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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